SCHEMBL3662222

SCHEMBL3662222

OCc1ccc(-c2c[c]cnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
FYN P06241 6/20 0.37
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
KIF11 P52732 1/20 0.34
CYP2A6 P11509 1/20 0.33
HDAC2 Q92769 1/20 0.33
PRKCI P41743 1/20 0.33
CHEK1 O14757 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
KDM1A O60341 1/20 0.33
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3668596 0.81 CYP2A6 (0.53) MKNK1MKNK2CYP2A6
SCHEMBL3666218 0.80 PRKCI (0.56) MKNK1MKNK2FYNPRKCICHEK1
SCHEMBL4158865 0.80 ABCC4 (0.53) TSHR
SCHEMBL3666063 0.79 SMN1; SMN2 (0.51) MKNK1MKNK2CHEK1TSHR
SCHEMBL3663742 0.79 ADRB2 (0.42) MKNK1MKNK2CYP2A6CHEK1
SCHEMBL3668815 0.77 HRH3 (0.57) TSHR
SCHEMBL27808224 0.77 FFAR1 (0.56) SLC22A12
SCHEMBL3667596 0.77 MEN1 (0.43)
SCHEMBL3670575 0.77 LTA4H (0.38) MKNK1MKNK2CHEK1
SCHEMBL6291238 0.77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN claimed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO claimed
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 MKNK1 3357/4885MKNK2 3102/4885FYN 349/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.